#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufg s SER 2 N 0.00 -0.00 -0.18 1.61 0.15 -1.26 -5.18 113.70 108.84 1ufg s SER 2 Ca 0.00 0.00 -0.35 0.00 0.70 0.00 0.00 55.95 56.30 1ufg s SER 2 Cb 0.00 1.00 0.15 0.00 -1.71 0.00 0.00 66.02 65.46 1ufg s SER 2 CO 0.00 -0.00 1.35 -0.44 1.20 0.00 0.00 173.24 175.35 1ufg s SER 3 N 3.00 -0.04 0.25 5.45 0.01 -1.26 -5.19 113.70 115.92 1ufg s SER 3 Ca 0.16 -0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.40 1ufg s SER 3 Cb -0.02 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 1ufg s SER 3 CO -0.16 -0.10 0.23 -0.83 0.41 0.00 0.00 173.24 172.80 1ufg s GLY 4 N -2.46 1.59 -0.04 3.44 0.00 -1.26 -5.16 107.32 103.42 1ufg s GLY 4 Ca 0.13 -1.70 -0.01 0.00 0.00 0.00 0.00 44.72 43.14 1ufg s GLY 4 CO -0.04 -1.30 0.07 -0.45 0.00 0.00 0.00 173.10 171.37 1ufg s SER 5 N -3.21 0.19 0.15 1.64 0.15 -1.26 -5.01 113.70 106.35 1ufg s SER 5 Ca 0.37 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 57.06 1ufg s SER 5 Cb 0.04 0.01 -0.06 0.00 -1.71 0.00 0.00 66.02 64.30 1ufg s SER 5 CO 0.17 -0.16 0.44 -0.55 1.20 0.00 0.00 173.24 174.34 1ufg s SER 6 N 1.30 6.59 1.00 5.45 0.15 -1.26 -5.05 113.70 121.87 1ufg s SER 6 Ca -0.07 0.77 -0.17 0.00 0.70 0.00 0.00 55.95 57.18 1ufg s SER 6 Cb -0.12 -2.17 -0.08 0.00 -1.71 0.00 0.00 66.02 61.94 1ufg s SER 6 CO -0.04 0.05 -0.49 0.61 1.20 0.00 0.00 173.24 174.57 1ufg n GLY 7 N 0.31 -3.52 2.94 9.45 0.00 -1.26 -5.00 105.19 108.11 1ufg n GLY 7 Ca -0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 1ufg n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ufg s GLN 8 N -2.59 0.89 -0.32 1.61 0.74 -1.26 -5.01 119.66 113.71 1ufg s GLN 8 Ca 0.46 -0.74 -0.04 0.00 0.05 0.00 0.00 55.36 55.09 1ufg s GLN 8 Cb -0.15 -0.17 0.19 0.00 1.10 0.00 0.00 33.01 33.99 1ufg s GLN 8 CO 0.75 -1.25 0.89 -1.12 -0.55 0.00 0.00 175.29 174.01 1ufg s SER 9 N 1.34 -0.81 0.29 6.67 0.01 -1.26 -5.17 113.70 114.77 1ufg s SER 9 Ca 0.22 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.37 1ufg s SER 9 Cb -0.04 1.28 -0.06 0.00 0.21 0.00 0.00 66.02 67.42 1ufg s SER 9 CO -0.06 -0.12 0.05 -1.10 0.41 0.00 0.00 173.24 172.42 1ufg s GLN 10 N 2.44 1.55 0.00 12.44 -1.52 -1.26 -5.15 119.66 128.16 1ufg s GLN 10 Ca 0.19 -1.84 0.00 0.00 -1.95 0.00 0.00 55.36 51.76 1ufg s GLN 10 Cb -0.02 -0.71 0.00 0.00 -0.22 0.00 0.00 33.01 32.06 1ufg s GLN 10 CO -0.18 -0.19 0.00 0.41 -0.25 0.00 0.00 175.29 175.08 1ufg n GLY 11 N -0.59 0.54 0.00 3.09 0.00 -1.26 -5.16 105.19 101.80 1ufg n GLY 11 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ufg n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLY 12 N 5.00 4.03 0.00 -0.02 0.00 -1.26 -5.17 105.19 107.77 1ufg n GLY 12 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1ufg n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLY 13 N -1.94 5.07 2.81 -0.02 0.00 -1.26 -5.13 105.19 104.71 1ufg n GLY 13 Ca 0.00 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 1ufg n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufg s SER 14 N -0.39 0.64 -0.49 1.61 0.15 -1.26 -4.98 113.70 108.98 1ufg s SER 14 Ca 0.00 -1.58 0.03 0.00 0.70 0.00 0.00 55.95 55.10 1ufg s SER 14 Cb 0.00 0.78 0.13 0.00 -1.71 0.00 0.00 66.02 65.22 1ufg s SER 14 CO 0.00 -0.23 0.25 -0.69 1.20 0.00 0.00 173.24 173.77 1ufg s VAL 15 N 1.36 2.20 -0.31 4.45 1.01 -1.26 -5.07 120.40 122.77 1ufg s VAL 15 Ca 0.19 -3.05 -0.11 0.00 0.00 0.00 0.00 61.98 59.00 1ufg s VAL 15 Cb -0.12 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1ufg s VAL 15 CO -0.04 -0.82 0.19 0.42 0.00 0.00 0.00 175.10 174.85 1ufg s THR 16 N -0.05 4.99 -0.28 3.92 -4.23 -1.26 -5.04 115.64 113.68 1ufg s THR 16 Ca 0.17 -0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.23 1ufg s THR 16 Cb -0.25 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 70.18 1ufg s THR 16 CO -0.00 0.08 0.91 -0.75 -0.54 0.00 0.00 174.62 174.32 1ufg s LYS 17 N 1.68 0.57 0.17 3.99 2.20 -1.26 -5.11 119.74 121.99 1ufg s LYS 17 Ca 0.06 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 1ufg s LYS 17 Cb -0.17 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1ufg s LYS 17 CO 0.09 -0.08 0.00 1.63 -0.36 0.00 0.00 175.35 176.62 1ufg n LYS 18 N 2.90 -4.71 -3.21 4.03 4.76 -1.26 -5.05 118.16 115.62 1ufg n LYS 18 Ca -0.15 3.42 0.00 0.00 -2.87 0.00 0.00 58.31 58.71 1ufg n LYS 18 Cb 0.56 -3.63 -0.01 0.00 -1.84 0.00 0.00 35.03 30.11 1ufg n LYS 18 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ufg s ARG 19 N -1.00 0.71 -0.33 1.97 0.52 -1.26 -5.00 118.95 114.55 1ufg s ARG 19 Ca 0.00 -0.06 0.06 0.00 -0.52 0.00 0.00 55.73 55.21 1ufg s ARG 19 Cb 0.00 0.06 0.24 0.00 0.52 0.00 0.00 34.95 35.78 1ufg s ARG 19 CO 0.00 -1.14 1.21 0.36 0.02 0.00 0.00 175.30 175.75 1ufg n LYS 20 N 4.73 0.76 -5.13 3.54 2.85 -1.26 -5.13 118.16 118.52 1ufg n LYS 20 Ca 0.09 -1.21 -0.30 0.00 -1.05 0.00 0.00 58.31 55.84 1ufg n LYS 20 Cb 0.55 0.03 -0.16 0.00 -0.65 0.00 0.00 35.03 34.79 1ufg n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ufg s LEU 21 N -2.71 2.02 -0.17 -5.58 1.43 -1.26 -5.12 118.68 107.29 1ufg s LEU 21 Ca 0.12 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1ufg s LEU 21 Cb 0.25 -1.26 0.11 0.00 0.03 0.00 0.00 46.19 45.33 1ufg s LEU 21 CO -0.06 0.20 0.94 -1.61 0.23 0.00 0.00 176.35 176.05 1ufg s GLU 22 N -0.00 0.66 -0.18 1.70 0.41 -1.26 -5.17 118.70 114.86 1ufg s GLU 22 Ca -0.07 0.29 -0.12 0.00 -0.41 0.00 0.00 54.97 54.67 1ufg s GLU 22 Cb -0.14 0.31 0.06 0.00 -1.78 0.00 0.00 34.13 32.58 1ufg s GLU 22 CO 0.04 -0.18 0.45 -1.54 -0.49 0.00 0.00 175.26 173.55 1ufg s SER 23 N -0.78 -0.56 -0.07 -0.19 1.04 -1.26 -5.15 113.70 106.73 1ufg s SER 23 Ca -0.02 0.97 -0.03 0.00 0.48 0.00 0.00 55.95 57.35 1ufg s SER 23 Cb -0.02 0.88 0.04 0.00 0.10 0.00 0.00 66.02 67.03 1ufg s SER 23 CO 0.01 -0.19 0.16 -0.44 0.98 0.00 0.00 173.24 173.77 1ufg s SER 24 N 1.14 -0.09 0.18 7.02 0.01 -1.26 -5.16 113.70 115.54 1ufg s SER 24 Ca -0.07 0.34 0.11 0.00 1.31 0.00 0.00 55.95 57.64 1ufg s SER 24 Cb -0.07 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 1ufg s SER 24 CO -0.10 -0.16 -0.25 -1.83 0.41 0.00 0.00 173.24 171.32 1ufg s GLU 25 N 1.25 1.49 -0.14 12.44 1.03 -1.26 -5.07 118.70 128.44 1ufg s GLU 25 Ca -0.09 -1.49 -0.15 0.00 0.03 0.00 0.00 54.97 53.28 1ufg s GLU 25 Cb -0.11 -1.85 -0.05 0.00 -0.80 0.00 0.00 34.13 31.32 1ufg s GLU 25 CO -0.06 0.41 -0.29 0.43 -1.33 0.00 0.00 175.26 174.41 1ufg n SER 26 N 0.40 1.77 -4.61 0.83 7.64 -1.26 -5.00 113.62 113.39 1ufg n SER 26 Ca -0.14 0.29 -0.35 0.00 1.01 0.00 0.00 58.87 59.68 1ufg n SER 26 Cb 0.55 -0.68 0.09 0.00 -1.01 0.00 0.00 64.21 63.17 1ufg n SER 26 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ufg n ARG 27 N -4.27 0.41 -3.65 1.43 3.00 -1.26 -5.02 116.66 107.31 1ufg n ARG 27 Ca -0.12 0.20 -0.03 0.00 -0.01 0.00 0.00 57.85 57.90 1ufg n ARG 27 Cb 0.44 -2.22 -0.07 0.00 0.00 0.00 0.00 32.46 30.61 1ufg n ARG 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ufg s SER 28 N -1.72 -0.04 0.37 0.55 0.15 -1.26 -5.17 113.70 106.57 1ufg s SER 28 Ca 0.72 0.08 -0.08 0.00 0.70 0.00 0.00 55.95 57.37 1ufg s SER 28 Cb -0.33 0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.00 1ufg s SER 28 CO 0.52 -0.02 0.69 -0.55 1.20 0.00 0.00 173.24 175.08 1ufg s SER 29 N -0.12 6.47 0.57 5.45 0.15 -1.26 -4.92 113.70 120.05 1ufg s SER 29 Ca 0.08 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1ufg s SER 29 Cb -0.04 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1ufg s SER 29 CO -0.15 -0.33 0.00 0.49 1.20 0.00 0.00 173.24 174.45 1ufg n PHE 30 N -1.23 -3.98 -0.85 3.44 3.72 -1.26 -4.12 117.46 113.18 1ufg n PHE 30 Ca 0.01 2.17 -0.35 0.00 -0.05 0.00 0.00 57.45 59.23 1ufg n PHE 30 Cb 0.54 -3.40 -0.05 0.00 -0.94 0.00 0.00 39.48 35.63 1ufg n PHE 30 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ufg n SER 31 N -3.00 2.65 -4.48 4.37 7.64 0.53 -4.76 113.62 116.57 1ufg n SER 31 Ca -0.02 -2.51 -0.42 0.00 1.01 0.00 0.00 58.87 56.93 1ufg n SER 31 Cb 0.50 -0.96 0.01 0.00 -1.01 0.00 0.00 64.21 62.75 1ufg n SER 31 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ufg n GLN 32 N 6.30 0.68 -2.86 1.43 7.27 -1.26 -3.90 117.38 125.03 1ufg n GLN 32 Ca 0.44 0.25 -0.10 0.00 0.07 0.00 0.00 57.00 57.65 1ufg n GLN 32 Cb 0.30 -1.58 0.01 0.00 2.41 0.00 0.00 30.24 31.38 1ufg n GLN 32 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1ufg n HIS 33 N -0.77 -2.98 -4.02 3.69 8.25 -0.36 -4.95 115.22 114.08 1ufg n HIS 33 Ca 0.11 -1.95 -0.29 0.00 -0.26 0.00 0.00 57.72 55.33 1ufg n HIS 33 Cb 0.39 1.20 -0.05 0.00 1.12 0.00 0.00 29.99 32.65 1ufg n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ufg s ALA 34 N 0.49 3.69 -0.23 -1.41 0.00 -1.26 -1.24 121.76 121.80 1ufg s ALA 34 Ca 0.32 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1ufg s ALA 34 Cb 0.12 -1.52 0.11 0.00 0.00 0.00 0.00 23.12 21.83 1ufg s ALA 34 CO -0.16 0.68 0.46 1.03 0.00 0.00 0.00 175.76 177.77 1ufg s ARG 35 N -2.69 0.39 0.10 0.00 1.81 0.91 -4.94 118.95 114.53 1ufg s ARG 35 Ca 0.31 1.01 -0.05 0.00 -1.72 0.00 0.00 55.73 55.28 1ufg s ARG 35 Cb -0.12 0.29 -0.05 0.00 -0.45 0.00 0.00 34.95 34.62 1ufg s ARG 35 CO 0.24 -0.35 0.35 0.99 -0.68 0.00 0.00 175.30 175.85 1ufg s THR 36 N 2.67 5.20 -0.48 0.02 2.01 -1.26 -0.36 115.64 123.43 1ufg s THR 36 Ca 0.02 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1ufg s THR 36 Cb -0.13 -3.62 0.18 0.00 0.01 0.00 0.00 72.50 68.95 1ufg s THR 36 CO -0.15 0.15 0.63 -0.44 -0.69 0.00 0.00 174.62 174.12 1ufg s SER 37 N -2.19 -0.87 0.00 3.53 0.01 0.49 -4.94 113.70 109.73 1ufg s SER 37 Ca 0.37 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 55.84 1ufg s SER 37 Cb -0.13 1.48 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1ufg s SER 37 CO 0.22 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1ufg n GLY 38 N 3.22 -0.60 0.13 3.44 0.00 -1.23 -4.41 105.19 105.75 1ufg n GLY 38 Ca 0.18 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1ufg n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufg n ARG 39 N 0.00 0.71 -3.30 1.61 1.74 -1.26 -4.84 116.66 111.31 1ufg n ARG 39 Ca 0.00 0.21 -0.20 0.00 -0.77 0.00 0.00 57.85 57.09 1ufg n ARG 39 Cb 0.00 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 1ufg n ARG 39 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ufg s VAL 40 N -2.54 4.03 0.06 1.55 1.01 -1.26 -1.16 120.40 122.09 1ufg s VAL 40 Ca -0.27 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 1ufg s VAL 40 Cb 0.08 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1ufg s VAL 40 CO 0.70 -0.21 0.14 0.00 0.00 0.00 0.00 175.10 175.74 1ufg s ALA 41 N -2.31 -0.13 -1.13 5.51 0.00 0.12 -4.60 121.76 119.22 1ufg s ALA 41 Ca 0.46 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 1ufg s ALA 41 Cb -0.10 0.37 0.09 0.00 0.00 0.00 0.00 23.12 23.48 1ufg s ALA 41 CO 0.33 -0.43 1.50 0.08 0.00 0.00 0.00 175.76 177.25 1ufg s VAL 42 N -3.39 4.26 0.00 0.00 1.01 -1.26 -0.66 120.40 120.36 1ufg s VAL 42 Ca 0.01 -1.54 -0.00 0.00 0.00 0.00 0.00 61.98 60.45 1ufg s VAL 42 Cb 0.03 -5.05 -0.00 0.00 0.00 0.00 0.00 36.38 31.36 1ufg s VAL 42 CO -0.08 -1.86 0.99 1.21 0.00 0.00 0.00 175.10 175.35 1ufg n GLU 43 N 7.93 -0.00 -3.66 2.72 0.00 -0.96 -4.68 120.64 121.98 1ufg n GLU 43 Ca 0.38 0.99 -0.09 0.00 0.00 0.00 0.00 57.16 58.44 1ufg n GLU 43 Cb 0.48 -1.48 -0.08 0.00 0.00 0.00 0.00 31.44 30.36 1ufg n GLU 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1ufg s GLU 44 N -3.03 0.60 -0.29 5.31 2.56 -0.37 -4.97 118.70 118.51 1ufg s GLU 44 Ca -0.00 1.04 0.03 0.00 0.00 0.00 0.00 54.97 56.04 1ufg s GLU 44 Cb 0.00 0.10 0.08 0.00 2.00 0.00 0.00 34.13 36.31 1ufg s GLU 44 CO 0.01 -0.15 -0.04 0.08 -0.56 0.00 0.00 175.26 174.60 1ufg s VAL 45 N 1.43 2.14 -0.40 3.70 1.01 -1.26 -0.19 120.40 126.83 1ufg s VAL 45 Ca -0.09 -1.87 -0.39 0.00 0.00 0.00 0.00 61.98 59.63 1ufg s VAL 45 Cb -0.06 -2.39 -0.15 0.00 0.00 0.00 0.00 36.38 33.79 1ufg s VAL 45 CO -0.16 -0.26 2.14 0.47 0.00 0.00 0.00 175.10 177.30 1ufg n ASP 46 N 4.39 1.62 -0.22 3.32 9.92 -0.75 -4.77 116.55 130.07 1ufg n ASP 46 Ca -0.07 0.56 0.07 0.00 -0.53 0.00 0.00 54.79 54.82 1ufg n ASP 46 Cb 0.42 -1.12 0.34 0.00 -0.64 0.00 0.00 41.12 40.13 1ufg n ASP 46 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1ufg h GLU 47 N 10.73 0.76 0.00 -1.24 4.11 -1.93 0.29 114.58 127.31 1ufg h GLU 47 Ca -0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1ufg h GLU 47 Cb 1.36 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ufg h GLU 47 CO 1.04 0.50 0.05 0.93 0.07 0.00 0.00 179.01 181.60 1ufg h GLU 48 N 0.78 0.00 -3.06 1.06 3.07 -1.86 -3.41 114.58 111.17 1ufg h GLU 48 Ca 0.35 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.19 1ufg h GLU 48 Cb 0.35 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1ufg h GLU 48 CO -0.13 0.00 -0.07 0.41 -1.40 0.00 0.00 179.01 177.82 1ufg n GLY 49 N -1.23 0.70 0.44 -3.84 0.00 0.10 -3.88 105.19 97.48 1ufg n GLY 49 Ca -0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1ufg n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ufg n LYS 50 N -1.58 0.27 -3.55 1.61 5.02 -1.25 -3.34 118.16 115.34 1ufg n LYS 50 Ca -0.01 0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 1ufg n LYS 50 Cb 0.51 -1.03 -0.05 0.00 -0.02 0.00 0.00 35.03 34.45 1ufg n LYS 50 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ufg s PHE 51 N -2.22 -0.44 -0.26 2.13 -0.12 -1.26 -0.31 117.98 115.49 1ufg s PHE 51 Ca -0.16 0.46 -0.00 0.00 -0.05 0.00 0.00 56.93 57.17 1ufg s PHE 51 Cb 0.06 0.37 0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1ufg s PHE 51 CO 0.23 -0.67 -0.07 0.08 -0.05 0.00 0.00 175.22 174.74 1ufg s VAL 52 N -2.61 2.66 -0.22 -2.49 1.01 -0.42 -1.80 120.40 116.52 1ufg s VAL 52 Ca -0.04 -1.26 -0.09 0.00 0.00 0.00 0.00 61.98 60.58 1ufg s VAL 52 Cb -0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1ufg s VAL 52 CO -0.03 0.09 0.12 -0.60 0.00 0.00 0.00 175.10 174.68 1ufg s ARG 53 N 1.25 4.01 -0.06 2.72 3.52 0.73 0.36 118.95 131.48 1ufg s ARG 53 Ca -0.03 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.31 1ufg s ARG 53 Cb -0.18 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1ufg s ARG 53 CO -0.04 0.13 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.83 1ufg s LEU 54 N 0.83 2.02 0.13 -0.88 1.43 0.12 -1.23 118.68 121.09 1ufg s LEU 54 Ca 0.06 -0.47 0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1ufg s LEU 54 Cb -0.13 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1ufg s LEU 54 CO 0.02 0.21 -0.25 -0.60 0.23 0.00 0.00 176.35 175.96 1ufg s ARG 55 N -0.04 1.33 0.04 1.70 3.52 0.17 0.25 118.95 125.93 1ufg s ARG 55 Ca -0.06 -1.31 -0.12 0.00 -0.13 0.00 0.00 55.73 54.11 1ufg s ARG 55 Cb -0.14 -1.76 -0.06 0.00 -1.56 0.00 0.00 34.95 31.44 1ufg s ARG 55 CO 0.04 0.41 0.40 1.21 -0.81 0.00 0.00 175.30 176.55 1ufg s ASN 56 N -2.06 6.71 -0.08 -2.12 3.84 0.69 0.11 114.94 122.03 1ufg s ASN 56 Ca 0.12 0.86 0.05 0.00 0.21 0.00 0.00 52.86 54.11 1ufg s ASN 56 Cb -0.10 -2.21 -0.09 0.00 -0.55 0.00 0.00 41.25 38.30 1ufg s ASN 56 CO 0.06 0.24 0.00 0.29 -2.79 0.00 0.00 177.10 174.90 1ufg n LYS 57 N 1.30 2.16 -0.53 0.43 4.76 -0.44 -3.33 118.16 122.51 1ufg n LYS 57 Ca -0.11 0.01 -0.28 0.00 -2.87 0.00 0.00 58.31 55.06 1ufg n LYS 57 Cb 0.52 -1.20 0.26 0.00 -1.84 0.00 0.00 35.03 32.77 1ufg n LYS 57 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ufg s SER 58 N -4.18 0.83 -0.03 4.39 0.15 -0.31 -4.72 113.70 109.82 1ufg s SER 58 Ca -0.06 1.49 0.18 0.00 0.70 0.00 0.00 55.95 58.25 1ufg s SER 58 Cb 0.03 -2.29 -0.21 0.00 -1.71 0.00 0.00 66.02 61.84 1ufg s SER 58 CO 0.30 -4.29 0.54 -0.46 1.20 0.00 0.00 173.24 170.53 1ufg n ASN 59 N -4.98 0.46 -4.82 5.45 0.23 -1.26 -3.46 115.26 106.88 1ufg n ASN 59 Ca 0.03 0.21 -0.37 0.00 -0.53 0.00 0.00 54.58 53.91 1ufg n ASN 59 Cb 0.54 0.72 -0.06 0.00 -2.08 0.00 0.00 39.78 38.89 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1ufg s GLU 60 N -2.89 3.79 0.88 -3.83 0.41 -1.26 -4.46 118.70 111.33 1ufg s GLU 60 Ca -0.06 0.01 -0.17 0.00 -0.41 0.00 0.00 54.97 54.35 1ufg s GLU 60 Cb 0.09 -3.27 -0.11 0.00 -1.78 0.00 0.00 34.13 29.05 1ufg s GLU 60 CO 0.83 0.60 -0.39 -0.40 -0.49 0.00 0.00 175.26 175.41 1ufg n ASP 61 N 2.43 -4.63 -4.03 -0.19 5.75 -1.26 -4.38 116.55 110.24 1ufg n ASP 61 Ca -0.17 0.33 -0.32 0.00 -0.01 0.00 0.00 54.79 54.62 1ufg n ASP 61 Cb 0.53 -0.88 -0.15 0.00 -1.03 0.00 0.00 41.12 39.60 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1ufg s GLN 62 N -2.11 1.58 -0.18 0.11 -0.44 0.12 -4.84 119.66 113.90 1ufg s GLN 62 Ca 0.48 -1.84 -0.29 0.00 -2.50 0.00 0.00 55.36 51.21 1ufg s GLN 62 Cb -0.26 -3.23 -0.05 0.00 -1.64 0.00 0.00 33.01 27.84 1ufg s GLN 62 CO 0.75 -0.93 1.91 -1.54 0.50 0.00 0.00 175.29 175.99 1ufg s SER 63 N 1.01 6.01 -0.56 6.67 1.04 -1.26 -0.10 113.70 126.51 1ufg s SER 63 Ca 0.10 1.88 0.02 0.00 0.48 0.00 0.00 55.95 58.42 1ufg s SER 63 Cb -0.19 -2.52 0.42 0.00 0.10 0.00 0.00 66.02 63.82 1ufg s SER 63 CO -0.07 -1.52 1.58 0.23 0.98 0.00 0.00 173.24 174.43 1ufg n MET 64 N 8.12 3.13 -1.51 4.02 0.00 0.01 -4.82 117.12 126.07 1ufg n MET 64 Ca 0.23 -3.90 -0.29 0.00 0.00 0.00 0.00 57.70 53.74 1ufg n MET 64 Cb 0.45 -2.27 -0.06 0.00 0.00 0.00 0.00 33.22 31.33 1ufg n MET 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ufg n GLY 65 N -0.65 4.31 0.00 3.03 0.00 -1.20 -3.64 105.19 107.04 1ufg n GLY 65 Ca 0.50 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1ufg n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ufg n ASN 66 N 1.83 0.00 -4.12 1.61 5.03 -1.24 -4.47 115.26 113.89 1ufg n ASN 66 Ca 0.56 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.65 1ufg n ASN 66 Cb 0.49 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.32 1ufg n ASN 66 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1ufg n TRP 67 N 0.00 -3.08 -4.07 3.10 7.02 -1.24 -4.42 117.44 114.74 1ufg n TRP 67 Ca 0.00 0.21 -0.11 0.00 -1.02 0.00 0.00 57.50 56.57 1ufg n TRP 67 Cb 0.00 -1.51 -0.06 0.00 -2.42 0.00 0.00 31.31 27.32 1ufg n TRP 67 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1ufg s GLN 68 N -2.51 1.54 -0.09 -0.99 -0.21 0.39 0.05 119.66 117.83 1ufg s GLN 68 Ca 0.44 -1.47 -0.00 0.00 0.02 0.00 0.00 55.36 54.35 1ufg s GLN 68 Cb -0.11 0.41 0.02 0.00 1.00 0.00 0.00 33.01 34.33 1ufg s GLN 68 CO 0.74 -0.61 -0.05 0.42 -2.12 0.00 0.00 175.29 173.67 1ufg s ILE 69 N -3.84 0.79 0.09 1.08 1.01 0.64 0.87 121.20 121.84 1ufg s ILE 69 Ca 0.29 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.68 1ufg s ILE 69 Cb 0.01 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.57 1ufg s ILE 69 CO 0.12 0.32 0.42 -0.13 0.00 0.00 0.00 174.94 175.68 1ufg s ARG 70 N 1.68 3.78 -0.23 2.79 0.52 0.29 0.46 118.95 128.25 1ufg s ARG 70 Ca 0.03 0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.41 1ufg s ARG 70 Cb -0.13 -2.98 0.10 0.00 0.52 0.00 0.00 34.95 32.47 1ufg s ARG 70 CO -0.06 0.54 0.23 0.50 0.02 0.00 0.00 175.30 176.53 1ufg s ARG 71 N -1.96 0.22 -0.46 3.54 6.06 -0.17 -0.11 118.95 126.06 1ufg s ARG 71 Ca 0.34 0.07 -0.00 0.00 -2.50 0.00 0.00 55.73 53.64 1ufg s ARG 71 Cb -0.14 -1.11 0.12 0.00 0.06 0.00 0.00 34.95 33.89 1ufg s ARG 71 CO 0.18 -0.76 0.23 -1.14 -2.50 0.00 0.00 175.30 171.32 1ufg s GLN 72 N 2.31 2.00 0.05 5.12 -0.44 0.94 -1.70 119.66 127.94 1ufg s GLN 72 Ca 0.07 -2.13 -0.07 0.00 -2.50 0.00 0.00 55.36 50.74 1ufg s GLN 72 Cb -0.15 -3.49 -0.05 0.00 -1.64 0.00 0.00 33.01 27.68 1ufg s GLN 72 CO -0.18 -1.07 0.32 -0.80 0.50 0.00 0.00 175.29 174.06 1ufg s ASN 73 N 1.00 6.53 0.63 6.67 -0.87 -1.26 -2.32 114.94 125.32 1ufg s ASN 73 Ca 0.12 0.62 -0.18 0.00 -1.57 0.00 0.00 52.86 51.85 1ufg s ASN 73 Cb -0.22 -2.11 -0.02 0.00 -0.02 0.00 0.00 41.25 38.88 1ufg s ASN 73 CO -0.04 0.19 1.23 -0.83 -2.57 0.00 0.00 177.10 175.08 1ufg s GLY 74 N -1.87 2.71 -1.43 0.66 0.00 -0.85 -2.54 107.32 104.01 1ufg s GLY 74 Ca 0.32 1.04 -0.12 0.00 0.00 0.00 0.00 44.72 45.95 1ufg s GLY 74 CO 0.18 1.44 0.65 1.34 0.00 0.00 0.00 173.10 176.71 1ufg n ASP 75 N -1.83 -3.83 -3.56 1.64 -0.08 -1.26 -4.91 116.55 102.72 1ufg n ASP 75 Ca 0.14 -0.61 -0.11 0.00 -1.51 0.00 0.00 54.79 52.71 1ufg n ASP 75 Cb 0.49 -3.14 -0.03 0.00 2.34 0.00 0.00 41.12 40.78 1ufg n ASP 75 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1ufg s ASP 76 N -2.95 -0.37 0.80 1.67 1.01 -1.05 -5.15 116.67 110.62 1ufg s ASP 76 Ca 0.53 -0.21 -0.11 0.00 0.71 0.00 0.00 52.55 53.46 1ufg s ASP 76 Cb -0.28 0.54 0.07 0.00 1.01 0.00 0.00 42.92 44.26 1ufg s ASP 76 CO 0.65 -0.93 1.10 -2.16 0.21 0.00 0.00 175.17 174.04 1ufg s PRO 77 N -3.79 2.08 -0.19 8.23 0.04 -1.26 -4.59 135.00 135.52 1ufg s PRO 77 Ca 0.03 0.63 -0.15 0.00 0.04 0.00 0.00 61.00 61.55 1ufg s PRO 77 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1ufg s PRO 77 CO -0.11 -1.62 0.38 -1.17 0.04 0.00 0.00 177.00 174.51 1ufg s LEU 78 N -5.78 4.18 0.23 -3.56 2.96 -1.26 -4.32 118.68 111.13 1ufg s LEU 78 Ca 0.61 0.52 0.10 0.00 -0.22 0.00 0.00 54.13 55.14 1ufg s LEU 78 Cb -0.14 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 1ufg s LEU 78 CO 0.54 -0.03 -0.12 -0.04 -1.32 0.00 0.00 176.35 175.38 1ufg s MET 79 N 1.08 1.95 -0.12 1.98 -1.94 -0.69 -5.00 119.30 116.56 1ufg s MET 79 Ca 0.19 -1.46 -0.04 0.00 -1.71 0.00 0.00 55.69 52.67 1ufg s MET 79 Cb -0.14 -2.02 0.05 0.00 2.01 0.00 0.00 34.83 34.73 1ufg s MET 79 CO 0.07 0.39 0.10 0.99 -0.01 0.00 0.00 175.02 176.56 1ufg s THR 80 N -2.04 -0.14 -0.67 2.05 2.01 -1.26 -1.00 115.64 114.59 1ufg s THR 80 Ca 0.27 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 1ufg s THR 80 Cb -0.07 -0.41 0.11 0.00 0.01 0.00 0.00 72.50 72.13 1ufg s THR 80 CO 0.15 -0.07 0.82 -0.47 -0.69 0.00 0.00 174.62 174.36 1ufg s TYR 81 N 2.19 3.00 -0.13 4.92 5.04 0.17 -4.85 117.35 127.69 1ufg s TYR 81 Ca 0.04 -1.00 -0.29 0.00 -2.44 0.00 0.00 57.07 53.37 1ufg s TYR 81 Cb -0.14 -4.10 -0.01 0.00 0.35 0.00 0.00 41.96 38.06 1ufg s TYR 81 CO -0.07 -1.37 1.09 0.50 -1.34 0.00 0.00 175.55 174.36 1ufg s ARG 82 N 2.80 4.35 0.93 4.97 3.52 -1.26 -0.26 118.95 133.99 1ufg s ARG 82 Ca 0.17 1.49 -0.12 0.00 -0.13 0.00 0.00 55.73 57.14 1ufg s ARG 82 Cb -0.19 -3.59 0.15 0.00 -1.56 0.00 0.00 34.95 29.75 1ufg s ARG 82 CO 0.04 -0.46 1.09 -0.06 -0.81 0.00 0.00 175.30 175.10 1ufg s PHE 83 N 2.48 2.26 0.40 5.12 0.08 0.11 -4.96 117.98 123.47 1ufg s PHE 83 Ca 0.50 1.17 -0.24 0.00 0.12 0.00 0.00 56.93 58.48 1ufg s PHE 83 Cb -0.20 -3.19 -0.09 0.00 -0.57 0.00 0.00 43.02 38.97 1ufg s PHE 83 CO 0.16 -2.53 1.05 -1.25 -0.10 0.00 0.00 175.22 172.55 1ufg s PRO 84 N -4.95 4.14 0.00 0.24 0.04 -1.26 -4.26 135.00 128.95 1ufg s PRO 84 Ca 0.64 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1ufg s PRO 84 Cb -0.18 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1ufg s PRO 84 CO 0.57 -0.16 0.44 -0.35 0.04 0.00 0.00 177.00 177.54 1ufg n PRO 85 N -0.11 0.75 -2.78 0.56 -0.04 -1.26 -2.76 135.00 129.36 1ufg n PRO 85 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1ufg n PRO 85 Cb 0.50 -1.31 0.04 0.00 -0.04 0.00 0.00 33.50 32.69 1ufg n PRO 85 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ufg n LYS 86 N 0.02 1.53 -4.38 0.54 0.00 -1.26 -4.68 118.16 109.92 1ufg n LYS 86 Ca 0.00 -3.39 -0.26 0.00 -0.00 0.00 0.00 58.31 54.66 1ufg n LYS 86 Cb 0.15 -1.46 -0.13 0.00 -0.00 0.00 0.00 35.03 33.60 1ufg n LYS 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1ufg s PHE 87 N -3.51 1.96 -0.21 5.58 2.19 -1.11 -5.01 117.98 117.86 1ufg s PHE 87 Ca 0.27 -0.40 -0.04 0.00 0.33 0.00 0.00 56.93 57.09 1ufg s PHE 87 Cb 0.37 -1.08 0.11 0.00 -1.31 0.00 0.00 43.02 41.10 1ufg s PHE 87 CO -0.01 0.23 0.33 0.99 1.83 0.00 0.00 175.22 178.58 1ufg s THR 88 N -1.08 -0.52 -0.86 0.12 2.01 -1.26 -0.81 115.64 113.24 1ufg s THR 88 Ca 0.09 -0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 1ufg s THR 88 Cb -0.10 -0.71 0.09 0.00 0.01 0.00 0.00 72.50 71.79 1ufg s THR 88 CO 0.04 -0.08 1.16 -0.22 -0.69 0.00 0.00 174.62 174.83 1ufg s LEU 89 N 2.49 4.40 1.03 4.42 2.96 0.86 -4.83 118.68 130.01 1ufg s LEU 89 Ca 0.08 -1.51 -0.21 0.00 -0.22 0.00 0.00 54.13 52.26 1ufg s LEU 89 Cb -0.15 -2.45 -0.07 0.00 0.50 0.00 0.00 46.19 44.02 1ufg s LEU 89 CO -0.14 -1.32 -0.71 0.29 -1.32 0.00 0.00 176.35 173.15 1ufg n LYS 90 N 7.57 -0.52 -2.71 1.98 5.02 -1.26 0.12 118.16 128.36 1ufg n LYS 90 Ca 0.17 -0.14 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 1ufg n LYS 90 Cb 0.48 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 34.13 1ufg n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ufg s ALA 91 N -2.12 3.28 0.00 7.82 0.00 -1.26 -2.93 121.76 126.55 1ufg s ALA 91 Ca 0.45 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1ufg s ALA 91 Cb -0.05 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1ufg s ALA 91 CO 0.69 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.86 1ufg n GLY 92 N 2.07 0.61 3.96 0.00 0.00 -1.21 -4.96 105.19 105.66 1ufg n GLY 92 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1ufg n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufg s GLN 93 N -0.37 1.66 0.03 1.61 1.11 -1.15 -4.76 119.66 117.79 1ufg s GLN 93 Ca 0.00 -0.74 -0.08 0.00 0.01 0.00 0.00 55.36 54.55 1ufg s GLN 93 Cb 0.00 -2.21 0.00 0.00 -1.01 0.00 0.00 33.01 29.79 1ufg s GLN 93 CO 0.00 -1.54 0.17 0.54 0.01 0.00 0.00 175.29 174.47 1ufg s VAL 94 N -3.29 0.11 0.00 1.09 0.11 -1.26 -0.22 120.40 116.94 1ufg s VAL 94 Ca 0.66 -0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 1ufg s VAL 94 Cb -0.07 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1ufg s VAL 94 CO 0.46 -0.50 0.02 0.54 -3.33 0.00 0.00 175.10 172.29 1ufg s VAL 95 N -2.39 0.07 -0.09 2.04 0.11 0.14 -4.80 120.40 115.47 1ufg s VAL 95 Ca -0.06 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.49 1ufg s VAL 95 Cb -0.02 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.61 1ufg s VAL 95 CO -0.03 -0.30 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.31 1ufg s THR 96 N -0.91 2.06 -0.76 5.04 2.01 -0.36 0.12 115.64 122.83 1ufg s THR 96 Ca -0.10 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1ufg s THR 96 Cb -0.06 -1.77 0.18 0.00 0.01 0.00 0.00 72.50 70.87 1ufg s THR 96 CO -0.00 0.56 0.58 -0.38 -0.69 0.00 0.00 174.62 174.69 1ufg n ILE 97 N 3.34 2.03 -0.84 1.82 -0.00 0.16 0.14 119.36 126.00 1ufg n ILE 97 Ca -0.18 -4.95 -0.30 0.00 -0.00 0.00 0.00 62.75 57.32 1ufg n ILE 97 Cb 0.53 -2.24 0.18 0.00 -0.00 0.00 0.00 39.64 38.11 1ufg n ILE 97 CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 176.55 176.81 1ufg s TRP 98 N -1.48 1.80 0.00 1.39 0.52 0.48 -1.31 118.94 120.34 1ufg s TRP 98 Ca 0.26 1.40 0.03 0.00 0.02 0.00 0.00 56.10 57.80 1ufg s TRP 98 Cb -0.05 -3.19 -0.03 0.00 -1.15 0.00 0.00 33.47 29.05 1ufg s TRP 98 CO -0.16 -3.00 -0.04 0.00 0.02 0.00 0.00 176.95 173.77 1ufg s ALA 99 N -2.69 3.11 0.15 0.98 0.00 0.57 0.22 121.76 124.09 1ufg s ALA 99 Ca 0.66 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.36 1ufg s ALA 99 Cb -0.22 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1ufg s ALA 99 CO 0.60 0.62 1.35 0.45 0.00 0.00 0.00 175.76 178.78 1ufg n SER 100 N 1.49 -0.89 -0.15 0.00 2.88 0.76 -0.80 113.62 116.91 1ufg n SER 100 Ca -0.15 1.55 -0.04 0.00 -1.33 0.00 0.00 58.87 58.90 1ufg n SER 100 Cb 0.53 -0.22 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 1ufg n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufg n GLY 101 N -1.24 -2.53 3.44 0.46 0.00 0.49 -4.45 105.19 101.37 1ufg n GLY 101 Ca 0.03 0.73 -0.38 0.00 0.00 0.00 0.00 46.02 46.40 1ufg n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n ALA 102 N -3.07 -1.39 -1.29 4.61 0.00 0.02 -4.82 120.51 114.56 1ufg n ALA 102 Ca 0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1ufg n ALA 102 Cb 0.10 -1.79 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 1ufg n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufg n GLY 103 N 1.85 4.41 2.97 0.00 0.00 -1.26 -4.79 105.19 108.36 1ufg n GLY 103 Ca 0.11 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1ufg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n ALA 104 N 0.53 -2.12 -3.84 4.61 0.00 -1.26 -5.07 120.51 113.37 1ufg n ALA 104 Ca 0.43 -1.36 -0.27 0.00 0.00 0.00 0.00 53.44 52.25 1ufg n ALA 104 Cb 0.56 -0.08 -0.17 0.00 0.00 0.00 0.00 19.45 19.76 1ufg n ALA 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ufg s THR 105 N -2.94 0.84 -0.30 0.00 2.01 -1.26 -5.08 115.64 108.91 1ufg s THR 105 Ca 0.59 -0.42 -0.32 0.00 0.31 0.00 0.00 61.69 61.85 1ufg s THR 105 Cb -0.04 -1.06 -0.09 0.00 0.01 0.00 0.00 72.50 71.33 1ufg s THR 105 CO 0.44 0.12 2.22 1.57 -0.69 0.00 0.00 174.62 178.27 1ufg n HIS 106 N 4.97 1.75 -3.15 4.92 -0.00 -1.26 -4.68 115.22 117.77 1ufg n HIS 106 Ca -0.10 0.10 -0.22 0.00 0.46 0.00 0.00 57.72 57.96 1ufg n HIS 106 Cb 0.48 -2.62 -0.05 0.00 -0.12 0.00 0.00 29.99 27.68 1ufg n HIS 106 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ufg n SER 107 N 10.82 0.05 -4.79 0.26 7.64 -1.16 -4.98 113.62 121.47 1ufg n SER 107 Ca 0.36 -2.80 -0.29 0.00 1.01 0.00 0.00 58.87 57.15 1ufg n SER 107 Cb 0.33 -0.43 0.13 0.00 -1.01 0.00 0.00 64.21 63.22 1ufg n SER 107 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ufg s PRO 108 N -1.26 1.28 0.16 1.43 0.04 0.70 0.19 135.00 137.53 1ufg s PRO 108 Ca 0.36 0.34 0.24 0.00 0.04 0.00 0.00 61.00 61.97 1ufg s PRO 108 Cb 0.21 -1.85 0.91 0.00 0.04 0.00 0.00 34.50 33.81 1ufg s PRO 108 CO -0.11 -2.11 1.73 -0.35 0.04 0.00 0.00 177.00 176.20 1ufg n PRO 109 N -3.71 0.15 0.00 0.56 -0.04 -1.26 -4.72 135.00 125.98 1ufg n PRO 109 Ca 0.07 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ufg n PRO 109 Cb 0.59 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1ufg n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ufg n THR 110 N -2.00 0.00 -2.58 0.52 -2.24 -1.18 -4.70 114.28 102.10 1ufg n THR 110 Ca 0.04 0.99 -0.35 0.00 -2.27 0.00 0.00 64.05 62.46 1ufg n THR 110 Cb 0.31 -1.92 -0.04 0.00 -2.10 0.00 0.00 70.33 66.57 1ufg n THR 110 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ufg s ASP 111 N -2.13 6.61 -0.01 3.42 1.11 0.49 -1.23 116.67 124.94 1ufg s ASP 111 Ca 0.00 1.95 -0.08 0.00 0.18 0.00 0.00 52.55 54.59 1ufg s ASP 111 Cb 0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.43 1ufg s ASP 111 CO 0.00 -0.59 0.16 -0.76 1.18 0.00 0.00 175.17 175.16 1ufg s LEU 112 N -3.05 1.44 -0.16 1.23 1.43 0.36 -0.22 118.68 119.72 1ufg s LEU 112 Ca 0.62 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1ufg s LEU 112 Cb -0.18 0.74 0.02 0.00 0.03 0.00 0.00 46.19 46.80 1ufg s LEU 112 CO 0.22 -0.34 -0.15 -0.69 0.23 0.00 0.00 176.35 175.62 1ufg s VAL 113 N -1.20 1.70 -0.77 -1.59 1.01 -1.26 0.18 120.40 118.47 1ufg s VAL 113 Ca -0.13 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 1ufg s VAL 113 Cb -0.07 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.77 1ufg s VAL 113 CO 0.02 0.46 1.25 0.86 0.00 0.00 0.00 175.10 177.68 1ufg s TRP 114 N 1.43 2.41 -0.06 5.22 -0.00 0.13 -4.82 118.94 123.26 1ufg s TRP 114 Ca 0.05 -0.29 -0.23 0.00 -0.00 0.00 0.00 56.10 55.62 1ufg s TRP 114 Cb -0.13 -4.57 -0.28 0.00 -0.00 0.00 0.00 33.47 28.49 1ufg s TRP 114 CO -0.11 -1.97 0.92 0.87 -0.00 0.00 0.00 176.95 176.67 1ufg h LYS 115 N 9.88 0.25 -1.00 5.86 1.57 -1.95 0.22 116.57 131.40 1ufg h LYS 115 Ca -0.20 -0.36 0.17 0.00 -1.87 0.00 0.00 60.65 58.39 1ufg h LYS 115 Cb 1.05 0.13 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1ufg h LYS 115 CO 1.28 1.13 -0.34 0.00 -0.57 0.00 0.00 179.45 180.95 1ufg h ALA 116 N 0.13 0.32 -1.48 3.86 0.00 -2.01 -3.40 119.26 116.68 1ufg h ALA 116 Ca -0.09 0.31 -0.46 0.00 0.00 0.00 0.00 54.91 54.67 1ufg h ALA 116 Cb 1.38 0.93 0.08 0.00 0.00 0.00 0.00 17.79 20.18 1ufg h ALA 116 CO 0.11 -0.55 0.08 -0.65 0.00 0.00 0.00 179.25 178.24 1ufg s GLN 117 N -6.05 1.87 -0.04 0.00 -1.52 -1.25 -5.04 119.66 107.64 1ufg s GLN 117 Ca -0.14 -1.01 0.05 0.00 -1.95 0.00 0.00 55.36 52.32 1ufg s GLN 117 Cb 0.22 -2.35 -0.08 0.00 -0.22 0.00 0.00 33.01 30.58 1ufg s GLN 117 CO 0.73 -1.30 0.06 0.27 -0.25 0.00 0.00 175.29 174.81 1ufg n ASN 118 N -2.74 3.59 -3.64 5.90 0.23 -1.26 -4.04 115.26 113.29 1ufg n ASN 118 Ca 0.13 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.11 1ufg n ASN 118 Cb 0.60 0.86 -0.07 0.00 -2.08 0.00 0.00 39.78 39.10 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1ufg s THR 119 N -2.24 0.00 0.38 5.53 -1.32 -1.26 0.19 115.64 116.92 1ufg s THR 119 Ca -0.03 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.60 1ufg s THR 119 Cb 0.02 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.38 1ufg s THR 119 CO 0.24 0.00 1.81 -0.50 -2.21 0.00 0.00 174.62 173.96 1ufg h TRP 120 N 5.66 0.71 0.00 9.09 4.06 -1.86 -3.47 115.95 130.14 1ufg h TRP 120 Ca -0.29 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.68 1ufg h TRP 120 Cb 1.19 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1ufg h TRP 120 CO 0.20 0.14 0.00 0.41 -3.56 0.00 0.00 178.44 175.63 1ufg n GLY 121 N -1.46 3.62 0.00 1.49 0.00 -1.26 -4.86 105.19 102.72 1ufg n GLY 121 Ca 0.22 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1ufg n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n GLY 123 N 5.00 2.75 0.30 0.00 0.00 -1.26 -4.59 105.19 107.39 1ufg n GLY 123 Ca 0.00 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.24 1ufg n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ufg h SER 124 N 0.00 0.67 -3.73 1.61 4.64 -1.94 -3.38 113.55 111.42 1ufg h SER 124 Ca 0.00 0.04 -0.63 0.00 -0.47 0.00 0.00 61.79 60.73 1ufg h SER 124 Cb 0.00 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 61.85 1ufg h SER 124 CO 0.00 0.39 -0.26 -0.44 -0.87 0.00 0.00 176.83 175.64 1ufg s SER 125 N -5.61 6.22 0.02 4.97 0.01 -1.26 0.13 113.70 118.18 1ufg s SER 125 Ca -0.12 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1ufg s SER 125 Cb 0.19 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 1ufg s SER 125 CO 0.78 -0.20 -0.07 -0.76 0.41 0.00 0.00 173.24 173.40 1ufg s LEU 126 N 2.05 2.15 -0.22 2.44 1.43 0.22 -2.01 118.68 124.74 1ufg s LEU 126 Ca 0.14 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1ufg s LEU 126 Cb -0.16 -0.23 0.12 0.00 0.03 0.00 0.00 46.19 45.95 1ufg s LEU 126 CO 0.10 -0.08 0.36 -0.60 0.23 0.00 0.00 176.35 176.36 1ufg s ARG 127 N -0.95 0.31 0.12 1.70 3.52 -0.98 -0.30 118.95 122.37 1ufg s ARG 127 Ca -0.04 0.59 0.07 0.00 -0.13 0.00 0.00 55.73 56.21 1ufg s ARG 127 Cb -0.07 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 1ufg s ARG 127 CO 0.00 -0.55 -0.04 0.99 -0.81 0.00 0.00 175.30 174.88 1ufg s THR 128 N 2.52 3.65 0.12 4.11 2.01 -0.87 -0.04 115.64 127.13 1ufg s THR 128 Ca 0.09 -1.24 -0.08 0.00 0.31 0.00 0.00 61.69 60.77 1ufg s THR 128 Cb -0.15 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 1ufg s THR 128 CO -0.14 0.05 0.21 0.00 -0.69 0.00 0.00 174.62 174.04 1ufg s ALA 129 N -1.40 -0.03 -0.07 7.40 0.00 0.84 -0.54 121.76 127.98 1ufg s ALA 129 Ca 0.24 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1ufg s ALA 129 Cb -0.11 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.68 1ufg s ALA 129 CO 0.16 -0.56 -0.14 -1.17 0.00 0.00 0.00 175.76 174.06 1ufg s LEU 130 N -2.92 1.70 0.15 0.00 2.96 0.45 0.10 118.68 121.12 1ufg s LEU 130 Ca 0.11 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1ufg s LEU 130 Cb 0.05 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.81 1ufg s LEU 130 CO -0.06 0.05 0.12 -0.63 -1.32 0.00 0.00 176.35 174.52 1ufg s ILE 131 N 0.61 4.48 0.04 6.68 -1.09 0.25 -1.18 121.20 131.00 1ufg s ILE 131 Ca -0.15 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.24 1ufg s ILE 131 Cb -0.16 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1ufg s ILE 131 CO 0.04 -0.07 0.03 -0.46 -1.23 0.00 0.00 174.94 173.25 1ufg n ASN 132 N -0.20 1.18 -0.32 3.58 6.94 -0.34 -0.47 115.26 125.63 1ufg n ASN 132 Ca -0.08 -1.14 -0.01 0.00 -0.02 0.00 0.00 54.58 53.32 1ufg n ASN 132 Cb 0.54 -0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.98 1ufg n ASN 132 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ufg n SER 133 N -1.94 -0.56 -4.90 0.53 3.41 -1.26 -4.33 113.62 104.56 1ufg n SER 133 Ca -0.00 1.44 -0.28 0.00 -0.26 0.00 0.00 58.87 59.77 1ufg n SER 133 Cb 0.05 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.69 1ufg n SER 133 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ufg s THR 134 N -5.75 4.34 -0.57 6.66 -4.23 -1.26 -4.76 115.64 110.07 1ufg s THR 134 Ca -0.11 0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1ufg s THR 134 Cb 0.16 -3.70 -0.06 0.00 1.34 0.00 0.00 72.50 70.24 1ufg s THR 134 CO 0.58 -0.76 1.91 0.61 -0.54 0.00 0.00 174.62 176.42 1ufg n GLY 135 N -2.52 2.63 3.10 3.99 0.00 -1.26 -4.75 105.19 106.38 1ufg n GLY 135 Ca 0.03 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 1ufg n GLY 135 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ufg s GLU 136 N 3.32 0.63 -0.08 1.61 2.12 -1.26 -5.03 118.70 120.01 1ufg s GLU 136 Ca 0.32 -1.09 -0.13 0.00 0.36 0.00 0.00 54.97 54.43 1ufg s GLU 136 Cb 0.10 -0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.40 1ufg s GLU 136 CO -0.02 -0.04 0.33 -2.00 -0.54 0.00 0.00 175.26 172.98 1ufg s GLU 137 N -3.11 3.96 -0.01 4.30 2.12 -1.26 -1.20 118.70 123.50 1ufg s GLU 137 Ca 0.02 0.21 0.09 0.00 0.36 0.00 0.00 54.97 55.66 1ufg s GLU 137 Cb 0.01 -3.29 -0.14 0.00 0.26 0.00 0.00 34.13 30.97 1ufg s GLU 137 CO -0.05 0.53 0.24 1.33 -0.54 0.00 0.00 175.26 176.77 1ufg n VAL 138 N 2.53 0.00 -3.62 3.70 0.24 -0.32 -4.93 118.33 115.92 1ufg n VAL 138 Ca -0.14 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 1ufg n VAL 138 Cb 0.53 0.43 -0.05 0.00 -1.47 0.00 0.00 33.84 33.28 1ufg n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ufg s ALA 139 N -2.49 -1.06 0.04 2.33 0.00 -1.22 0.18 121.76 119.54 1ufg s ALA 139 Ca -0.02 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 1ufg s ALA 139 Cb 0.06 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1ufg s ALA 139 CO 0.39 -0.56 0.29 0.00 0.00 0.00 0.00 175.76 175.87 1ufg s MET 140 N -3.14 0.77 -0.40 0.00 0.00 0.51 -0.42 119.30 116.63 1ufg s MET 140 Ca -0.01 -0.48 0.04 0.00 0.00 0.00 0.00 55.69 55.23 1ufg s MET 140 Cb 0.00 0.33 0.16 0.00 0.00 0.00 0.00 34.83 35.33 1ufg s MET 140 CO -0.07 -0.24 0.41 0.50 0.00 0.00 0.00 175.02 175.62 1ufg s ARG 141 N -2.39 0.77 0.50 3.16 3.52 0.30 -0.06 118.95 124.76 1ufg s ARG 141 Ca -0.06 -1.25 -0.14 0.00 -0.13 0.00 0.00 55.73 54.15 1ufg s ARG 141 Cb -0.01 -0.83 -0.07 0.00 -1.56 0.00 0.00 34.95 32.47 1ufg s ARG 141 CO -0.02 -1.27 0.93 0.21 -0.81 0.00 0.00 175.30 174.34 1ufg s LYS 142 N 0.96 3.84 -0.29 5.12 2.20 -0.37 -2.06 119.74 129.15 1ufg s LYS 142 Ca 0.23 0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 56.59 1ufg s LYS 142 Cb -0.09 -2.20 0.17 0.00 -1.51 0.00 0.00 37.83 34.20 1ufg s LYS 142 CO -0.07 -0.25 0.56 -0.51 -0.36 0.00 0.00 175.35 174.72 1ufg s LEU 143 N -4.20 -1.19 -0.13 5.43 1.02 0.59 -1.22 118.68 118.97 1ufg s LEU 143 Ca 0.56 0.87 0.02 0.00 0.02 0.00 0.00 54.13 55.60 1ufg s LEU 143 Cb -0.10 1.97 0.01 0.00 0.02 0.00 0.00 46.19 48.09 1ufg s LEU 143 CO 0.35 -0.26 -0.19 -0.69 0.02 0.00 0.00 176.35 175.59 1ufg s VAL 144 N 2.80 1.81 0.22 -1.59 1.01 -1.25 0.73 120.40 124.13 1ufg s VAL 144 Ca 0.15 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 1ufg s VAL 144 Cb -0.15 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1ufg s VAL 144 CO -0.19 0.50 0.87 -0.60 0.00 0.00 0.00 175.10 175.68 1ufg s ARG 145 N 0.97 4.69 -0.40 2.72 3.52 0.35 0.20 118.95 130.99 1ufg s ARG 145 Ca -0.05 1.32 -0.36 0.00 -0.13 0.00 0.00 55.73 56.51 1ufg s ARG 145 Cb -0.15 -3.19 -0.13 0.00 -1.56 0.00 0.00 34.95 29.92 1ufg s ARG 145 CO -0.03 0.50 2.21 0.45 -0.81 0.00 0.00 175.30 177.62 1ufg n SER 146 N 1.37 1.85 -3.05 -2.12 2.88 -1.26 -4.78 113.62 108.51 1ufg n SER 146 Ca -0.03 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1ufg n SER 146 Cb 0.48 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1ufg n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufg n GLY 147 N 6.68 -3.37 0.08 0.46 0.00 -1.26 -4.96 105.19 102.82 1ufg n GLY 147 Ca 0.44 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1ufg n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufg h PRO 148 N 0.00 -0.05 -3.95 1.61 0.13 -2.06 -3.47 132.00 124.20 1ufg h PRO 148 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.04 1ufg h PRO 148 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.00 1ufg h PRO 148 CO 0.00 0.60 -0.47 -1.12 -0.23 0.00 0.00 178.00 176.78 1ufg s SER 149 N -5.84 0.23 0.03 1.44 0.01 -1.26 -5.17 113.70 103.14 1ufg s SER 149 Ca -0.16 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.36 1ufg s SER 149 Cb -0.01 0.30 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 1ufg s SER 149 CO 0.60 -0.70 -0.10 -0.55 0.41 0.00 0.00 173.24 172.90 1ufg s SER 150 N -2.89 1.15 0.00 2.44 0.15 -1.26 -5.21 113.70 108.08 1ufg s SER 150 Ca 0.06 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1ufg s SER 150 Cb 0.06 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1ufg s SER 150 CO -0.10 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.91